SCHEMBL2754777

SCHEMBL2754777

Cc1ccc(N2c3ccccc3C3(c4ccccc4C(=O)c4ccccc43)c3cc(C)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
ELANE P08246 2/20 0.41
ALDH1A1 P00352 6/20 0.40
AGTR1 P30556 1/20 0.40
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TLR9 Q9NR96 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
KDM4E B2RXH2 4/20 0.37
F2 P00734 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CTRC Q99895 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ADORA2A P29274 1/20 0.36
HSD17B10 Q99714 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4399743 0.95 ALDH1A1 (0.41) PGRELANEALDH1A1AGTR1GAA
SCHEMBL2754775 0.92 PGR (0.43) PGRELANEALDH1A1AGTR1GAA
SCHEMBL2754779 0.89 ALDH1A1 (0.41) PGRELANEALDH1A1AGTR1MEN1
SCHEMBL22550211 0.89 PGR (0.46) PGRELANEALDH1A1AGTR1GAA
SCHEMBL12354656 0.88 PGR (0.41) PGRALDH1A1AGTR1GAAMEN1
SCHEMBL2754781 0.87 ALDH1A1 (0.44) PGRELANEALDH1A1AGTR1GAA
SCHEMBL24604404 0.86 ELANE (0.50) PGRELANEALDH1A1AGTR1MEN1
SCHEMBL22969897 0.85 PGR (0.44) PGRALDH1A1GAAMEN1KMT2A
SCHEMBL22519595 0.84 HSP90AA1 (0.46) PGRELANEALDH1A1GAAMEN1
SCHEMBL24145277 0.82 PDK2 (0.38) PGRALDH1A1AGTR1ADAMTS5BCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8632893-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-01-21 US disclosed
US-8632893-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-01-21 US disclosed
US-8173274-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-05-08 US disclosed
US-8173274-B2 Organic compound and organic electroluminescence device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-05-08 US disclosed
US-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-05 US disclosed
US-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-05 US disclosed
US-20100019658-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-28 US disclosed
US-20100019658-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-01-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120001537-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME OR10J3, ORC3, PIEZO1 PGR 525/4885ELANE 1347/4885ALDH1A1 738/4885
US-20100019658-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME OR10J3, DDT, HRH4 PGR 3075/4885ELANE 907/4885ALDH1A1 2491/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.